6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole

C19H18FN5O2 — CID 154575444

IUPAC6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole
SMILESFc1ccc2nc(N3CCC(COc4ccc5nccn5n4)CC3)oc2c1
InChIInChI=1S/C19H18FN5O2/c20-14-1-2-15-16(11-14)27-19(22-15)24-8-5-13(6-9-24)12-26-18-4-3-17-21-7-10-25(17)23-18/h1-4,7,10-11,13H,5-6,8-9,12H2
InChIKeyCOJHDCQRSAFQKI-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.31
Rot. Bonds4

About 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole

6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole (PubChem CID 154575444) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole
PubChem CID154575444
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole
SMILESFc1ccc2nc(N3CCC(COc4ccc5nccn5n4)CC3)oc2c1
InChIInChI=1S/C19H18FN5O2/c20-14-1-2-15-16(11-14)27-19(22-15)24-8-5-13(6-9-24)12-26-18-4-3-17-21-7-10-25(17)23-18/h1-4,7,10-11,13H,5-6,8-9,12H2
InChIKeyCOJHDCQRSAFQKI-UHFFFAOYSA-N
XLogP3.31
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole (CID 154575444) is 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole is Fc1ccc2nc(N3CCC(COc4ccc5nccn5n4)CC3)oc2c1.
What is the InChIKey of 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole?
The InChIKey is COJHDCQRSAFQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-1-2-15-16(11-14)27-19(22-15)24-8-5-13(6-9-24)12-26-18-4-3-17-21-7-10-25(17)23-18/h1-4,7,10-11,13H,5-6,8-9,12H2.
What are the key properties of 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole?
6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole has a molecular weight of 367.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 154575444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).